4-(2-{5-[2-(2,4-diamino-5-methylphenyl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)-6-methylbenzene-1,3-diamine dihydrochloride

• ChemBase编号: 104147
• 分子式: C21H26Cl2N8
• 平均质量: 461.39074
• 单一同位素质量: 460.16574823
• SMILES: Cl.Cl.Cc1ccc(cc1/N=N/c1c(N)cc(N)c(C)c1)/N=N/c1cc(C)c(N)cc1N
• Canonical SMILES: Cc1ccc(cc1/N=N/c1cc(C)c(cc1N)N)/N=N/c1cc(C)c(cc1N)N.Cl.Cl
• InChI: InChI=1S/C21H24N8.2ClH/c1-11-4-5-14(26-28-20-6-12(2)15(22)9-17(20)24)8-19(11)27-29-21-7-13(3)16(23)10-18(21)25;;/h4-10H,22-25H2,1-3H3;2*1H
• InChIKey: WLKAMFOFXYCYDK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(2-{5-[2-(2,4-diamino-5-methylphenyl)diazen-1-yl]-2-methylphenyl}diazen-1-yl)-6-methylbenzene-1,3-diamine dihydrochloride
• IUPAC传统名: bismarck brown Y dihydrochloride
• 别名: Vesuvine; Bismarck Brown R; C.I. 21010; Basic Brown 4; BISMARCK BROWN R

登记号

• CAS号: 5421-66-9
• EC号: 226-541-4
• MDL号: MFCD00036386
• Beilstein号: 1829673
• PubChem SID: 162092435; 24848997
• PubChem CID: 79459
• Color Index Number: 21010

理论计算性质

• Acid pKa: 18.830154
• 质子受体: 8
• 质子供体: 4
• LogD (pH = 5.5): 5.0049033
• LogD (pH = 7.4): 5.0095344
• Log P: 5.0095935
• 摩尔折射率: 128.6212 cm^3
• 极化性: 42.651714 Å^3
• 极化表面积: 153.52 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 222 °C (dec.)(lit.)

安全信息

• 保存条件: Room Temperature (15-30°C)
• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

产品相关信息

• 纯度: Dye Content ~60%
• 级别: for microscopy (Bact., Hist.)
• Empirical Formula (Hill Notation): C21H24N8 · 2HCl

详细说明

MP Biomedicals - 02154858

(C.I. 21010; Basic Brown 4) Dye content: ~ 60%

Sigma Aldrich - 15000

包装
25, 100 g in poly bottle